34244

Source:http://linkedlifedata.com/resource/chembl/compound/34244

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H26Cl3N3O4/c1-4-5-6-20-29-23(28)19(14-35-3)31(20)13-15-7-9-16(10-8-15)30(2)24(32)21-17(26)11-12-18(27)22(21)25(33)34/h7-12H,4-6,13-14H2,1-3H3,(H,33,34)
chemicalCompound:standardIn...	WWIGAQDPARORML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(COC)n1Cc2ccc(cc2)N(C)C(=O)c3c(Cl)ccc(Cl)c3C(=O)O
chemicalCompound:molecularF...	C25 H26 Cl3 N3 O4
chemicalCompound:moleculeId	34244
chemicalCompound:mwFreebase	538.851
chemicalCompound:alogp	6.051
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	84.66
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.761
chemicalCompound:acdLogP	4.23
chemicalCompound:acdLogD	1.083
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	538.851
chemicalCompound:acdMostBpk...	4.501
chemicalCompound:chemblId	CHEMBL25677
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134244
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:662437